SCHEMBL3364646

SCHEMBL3364646

Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1S(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.49
F2RL3 Q96RI0 1/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HSD11B1 P28845 3/20 0.38
TNKS O95271 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RIPK2 O43353 1/20 0.38
NOD2 Q9HC29 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3366885 0.89 CRHR1 (0.48) CRHR1F2RL3GAAHSD11B1TNKS
SCHEMBL3365289 0.89 CRHR1 (0.48) CRHR1F2RL3GAAHSD11B1TNKS
SCHEMBL14231222 0.89 CRHR1 (0.41) CRHR1GAALMNAHTTHSD11B1
SCHEMBL3364041 0.87 CRHR1 (0.46) CRHR1F2RL3GAAHSD11B1TNKS
SCHEMBL3362573 0.87 CRHR1 (0.46) CRHR1F2RL3GAAHSD11B1TNKS
SCHEMBL3363779 0.84 CRHR1 (0.44) CRHR1F2RL3TNKS
SCHEMBL3362975 0.84 LMNA (0.44) CRHR1GAALMNAHTTKDM4E
SCHEMBL3363815 0.84 CRHR1 (0.42) CRHR1
SCHEMBL3364166 0.82 CRHR1 (0.42) CRHR1GAALMNAHTTKDM4E
SCHEMBL3362619 0.82 CRHR1 (0.46) CRHR1F2RL3GAAHSD11B1TNKS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 EP claimed
EP-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
US-20050101614-A1 For example, 7-(2,4-Dichloro-phenyl)-2-methyl-2H-pyrazolo[4,3-b]pyridine; for treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder, or pain ROCHE PALO ALTO LLC 2005-05-12 US disclosed
WO-2005016892-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050101614-A1 For example, 7-(2,4-Dichloro-phenyl)-2-methyl-2H-pyrazolo[4,3-b]pyridine; for treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder, or pain HTR2C, GABRA2, GABRA4 CRHR1 183/4885F2RL3 356/4885GAA 2621/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.